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78535-05-4 | 4-(2-phenylmethoxy-9-piperazin-1-yl-3,5,8,10-tetrazabicyclo[4.4.0]deca -2,4,7,9,11-pentaen-7-yl)-1,4-thiazinane 1-oxide
CAS No: 78535-05-4 Catalog No: AG00GH15 MDL No:
Product Description
Catalog Number:
AG00GH15
Chemical Name:
4-(2-phenylmethoxy-9-piperazin-1-yl-3,5,8,10-tetrazabicyclo[4.4.0]deca -2,4,7,9,11-pentaen-7-yl)-1,4-thiazinane 1-oxide
CAS Number:
78535-05-4
IUPAC Name:
4-(8-phenylmethoxy-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
InChI:
InChI=1S/C21H25N7O2S/c29-31-12-10-27(11-13-31)19-17-18(25-21(26-19)28-8-6-22-7-9-28)20(24-15-23-17)30-14-16-4-2-1-3-5-16/h1-5,15,22H,6-14H2
InChI Key:
UUAAOLXGDBTJHR-UHFFFAOYSA-N
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.179g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
439.538g/mol
Monoisotopic Mass:
439.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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